2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

C11H18N2O2S — CID 62765133

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)CC(C)(C)C)sc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-7-8(9(14)15)16-10(12-7)13(5)6-11(2,3)4/h6H2,1-5H3,(H,14,15)
InChIKeyWZTWIWMTBVDFFI-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.63
Rot. Bonds3

About 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765133) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765133
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)CC(C)(C)C)sc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-7-8(9(14)15)16-10(12-7)13(5)6-11(2,3)4/h6H2,1-5H3,(H,14,15)
InChIKeyWZTWIWMTBVDFFI-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765133) is 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)CC(C)(C)C)sc1C(=O)O.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WZTWIWMTBVDFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-8(9(14)15)16-10(12-7)13(5)6-11(2,3)4/h6H2,1-5H3,(H,14,15).
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).